N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide

C18H20N2O2 — CID 10017469

IUPACN-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)o1)C1CN2CCC1CC2
InChIInChI=1S/C18H20N2O2/c21-18(15-12-20-10-8-13(15)9-11-20)19-17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)
InChIKeyLYHBYNUZMCBCSZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.23
Rot. Bonds3

About N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide

N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide (PubChem CID 10017469) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide.

Molecular Properties

Compound NameN-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
PubChem CID10017469
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)o1)C1CN2CCC1CC2
InChIInChI=1S/C18H20N2O2/c21-18(15-12-20-10-8-13(15)9-11-20)19-17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)
InChIKeyLYHBYNUZMCBCSZ-UHFFFAOYSA-N
XLogP3.23
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide?
The IUPAC name of N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide (CID 10017469) is N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide.
What is the SMILES notation for N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide?
The canonical SMILES for N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)o1)C1CN2CCC1CC2.
What is the InChIKey of N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide?
The InChIKey is LYHBYNUZMCBCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(15-12-20-10-8-13(15)9-11-20)19-17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21).
What are the key properties of N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide?
N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide is sourced from PubChem (CID 10017469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).